2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine

C12H22N2 — CID 90941822

IUPAC2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine
SMILESCC/N=C(C)/C(C)=N/C(C)C=C(C)C
InChIInChI=1S/C12H22N2/c1-7-13-11(5)12(6)14-10(4)8-9(2)3/h8,10H,7H2,1-6H3/b13-11+,14-12+
InChIKeyUYVKOSSZKXJYMI-PHEQNACWSA-N
MW194.32 g/mol
LogP3.28
Rot. Bonds4

About 2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine

2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine (PubChem CID 90941822) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine.

Molecular Properties

Compound Name2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine
PubChem CID90941822
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine
SMILESCC/N=C(C)/C(C)=N/C(C)C=C(C)C
InChIInChI=1S/C12H22N2/c1-7-13-11(5)12(6)14-10(4)8-9(2)3/h8,10H,7H2,1-6H3/b13-11+,14-12+
InChIKeyUYVKOSSZKXJYMI-PHEQNACWSA-N
XLogP3.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine?
The IUPAC name of 2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine (CID 90941822) is 2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine.
What is the SMILES notation for 2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine?
The canonical SMILES for 2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine is CC/N=C(C)/C(C)=N/C(C)C=C(C)C.
What is the InChIKey of 2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine?
The InChIKey is UYVKOSSZKXJYMI-PHEQNACWSA-N. The full InChI is InChI=1S/C12H22N2/c1-7-13-11(5)12(6)14-10(4)8-9(2)3/h8,10H,7H2,1-6H3/b13-11+,14-12+.
What are the key properties of 2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine?
2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine has a molecular weight of 194.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-N-(4-methylpent-3-en-2-yl)butane-2,3-diimine is sourced from PubChem (CID 90941822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).